UCSF
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Popular Name: N-[4-methyl-3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]sulfamoyl]phenyl]acetamide N-[4-methyl-3-[methyl-[(4-oxo-3H…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 3.45 -25.56 2 8 0 112 406.489 5 ↓

Analogs

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Popular Name: 4-chloro-3-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]benzoic 4-chloro-3-[(4-oxo-3H-thieno[3,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 5.95 -58.93 1 8 -1 123 440.91 7 ↓

Analogs

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Popular Name: 2-chloro-5-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]benzoic 2-chloro-5-[(4-oxo-3H-thieno[3,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 5.7 -60.05 1 8 -1 123 440.91 7 ↓

Analogs

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Popular Name: 3-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]benzoic 3-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 5.29 -61.36 1 8 -1 123 406.465 7 ↓

Analogs

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Popular Name: (E)-3-[3,4-dimethoxy-5-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]phenyl]prop-2- (E)-3-[3,4-dimethoxy-5-[(4-oxo-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.18 6.79 -61.69 1 10 -1 142 492.555 10 ↓

Analogs

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Popular Name: 2-bromo-5-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]benzoic 2-bromo-5-[(4-oxo-3H-thieno[3,2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 5.79 -59.27 1 8 -1 123 485.361 7 ↓

Analogs

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Popular Name: (E)-3-[4-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]phenyl]prop-2-enoic (E)-3-[4-[(4-oxo-3H-thieno[3,2-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 6.53 -62.24 1 8 -1 123 432.503 8 ↓

Analogs

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Popular Name: 2-fluoro-5-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]benzoic 2-fluoro-5-[(4-oxo-3H-thieno[3,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.10 5.32 -63.06 1 8 -1 123 424.455 7 ↓

Analogs

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Popular Name: 4-bromo-3-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]benzoic 4-bromo-3-[(4-oxo-3H-thieno[3,2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 6.09 -58.52 1 8 -1 123 485.361 7 ↓

Analogs

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Popular Name: 4-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]benzoic 4-[(4-oxo-3H-thieno[3,2-d]pyrimi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 5.31 -59.35 1 8 -1 123 406.465 7 ↓

Analogs

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Popular Name: 3,4-dimethyl-5-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]benzoic 3,4-dimethyl-5-[(4-oxo-3H-thieno…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 6.64 -70.36 1 8 -1 123 434.519 7 ↓

Analogs

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Popular Name: 4-methyl-3-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]benzoic 4-methyl-3-[(4-oxo-3H-thieno[3,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.73 6.1 -69.17 1 8 -1 123 420.492 7 ↓

Parameters Provided:

ring.id = 109281
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 109281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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